1-methyl-3-[(E)-[2-(naphthalen-1-ylmethoxy)-5-nitro-phenyl]methylideneamino]thiourea

Systemtic Name: 1-methyl-3-[(E)-[2-(naphthalen-1-ylmethoxy)-5-nitro-phenyl]methylideneamino]thiourea Openeye Name: 1-methyl-3-[(E)-[2-(1-naphthylmethoxy)-5-nitro-phenyl]methyleneamino]thiourea CAS Name: 1-methyl-3-[(E)-[2-(1-naphthalenylmethoxy)-5-nitrophenyl]methylideneamino]thiourea IUPAC Name: 1-methyl-3-[(E)-[2-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylideneamino]thiourea Traditional Name: 1-methyl-3-[(E)-[2-(1-naphthylmethoxy)-5-nitro-benzylidene]amino]thiourea Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CNC(=S)N/N=C/C1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H18N4O3S/c1-21-20(28)23-22-12-16-11-17(24(25)26)9-10-19(16)27-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-12H,13H2,1H3,(H2,21,23,28)/b22-12+